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3-acetyl-3-(3,4-dimethoxyphenyl)hexanedioic acid, diethyl ester
SpectraBase Compound ID J7W2Dd2HsHw
InChI InChI=1S/C20H28O7/c1-6-26-18(22)10-11-20(14(3)21,13-19(23)27-7-2)15-8-9-16(24-4)17(12-15)25-5/h8-9,12H,6-7,10-11,13H2,1-5H3
InChIKey MARYWUPFBAQBFA-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C20H28O7
Exact Mass 380.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22415HRMtIB
Name 3-ACETYL-3-(3,4-DIMETHOXYPHENYL)HEXANEDIOIC ACID, DIETHYL ESTER
Source of Sample G. Metz, L. Merckle Kg, Blaubeuren, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O7
InChI InChI=1S/C20H28O7/c1-6-26-18(22)10-11-20(14(3)21,13-19(23)27-7-2)15-8-9-16(24-4)17(12-15)25-5/h8-9,12H,6-7,10-11,13H2,1-5H3
InChIKey MARYWUPFBAQBFA-UHFFFAOYSA-N
Melting Point 84-85C
Molecular Weight 380.44
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEXANEDIOIC ACID, 3-ACETYL- 3-/3,4-DIMETHOXYPHENYL/-, DIETHYL ESTER